CAS
2157-19-9 Purity
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2157-19-9 Purity
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1-Cyclopropylbutane-1,3-dione
CAS
21573-10-4
Catalog Number
ACM21573104
Category
Other Products
Molecular Weight
126.155g/mol
Molecular Formula
C7H10O2;
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Specification
Synonyms
TL80073542; MFCD00511094; AB0009705; A815490; ZLD0632; RT-000802; 21573-10-4; 1-cyclopropyl-butane-1,3-dione; zlchem 1163; 1-Cyclopropyl-1,3-Butandione;
IUPAC Name
1-cyclopropylbutane-1,3-dione;
Canonical SMILES
CC(=O)CC(=O)C1CC1;
InChI
InChI=1S/C7H10O2/c1-5(8)4-7(9)6-2-3-6/h6H,2-4H2,1H3;
InChI Key
KLCGMDWRXACELA-UHFFFAOYSA-N;
Complexity
145
Covalently-Bonded Unit Count
1
Exact Mass
126.068g/mol
H-Bond Acceptor
2
Heavy Atom Count
9
Monoisotopic Mass
126.068g/mol
Rotatable Bond Count
3
Topological Polar Surface Area
34.1A^2
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